5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide

C20H23N3O2S2 — CID 86876202

IUPAC5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(=O)C3CC3)s2)ccc1N1CCSCC1
InChIInChI=1S/C20H23N3O2S2/c1-13-12-15(4-5-16(13)23-8-10-26-11-9-23)21-20(25)17-6-7-18(27-17)22-19(24)14-2-3-14/h4-7,12,14H,2-3,8-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyGRMNLMJWBUCVQS-UHFFFAOYSA-N
MW401.56 g/mol
LogP4.21
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 86876202) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID86876202
Molecular FormulaC20H23N3O2S2
Molecular Weight401.56 g/mol
Exact Mass401.12
IUPAC Name5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(=O)C3CC3)s2)ccc1N1CCSCC1
InChIInChI=1S/C20H23N3O2S2/c1-13-12-15(4-5-16(13)23-8-10-26-11-9-23)21-20(25)17-6-7-18(27-17)22-19(24)14-2-3-14/h4-7,12,14H,2-3,8-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyGRMNLMJWBUCVQS-UHFFFAOYSA-N
XLogP4.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852098
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 41270353
5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 24590454
N-[5-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31315172
5-(cyclopropanecarbonylamino)-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 86876244
N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 16595029
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide
CID 56801108
N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86881839
2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide
CID 86967706
N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86940766
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide (CID 86876202) is 5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2ccc(NC(=O)C3CC3)s2)ccc1N1CCSCC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is GRMNLMJWBUCVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-13-12-15(4-5-16(13)23-8-10-26-11-9-23)21-20(25)17-6-7-18(27-17)22-19(24)14-2-3-14/h4-7,12,14H,2-3,8-11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 401.56 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 86876202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).